2-Amino-4-fluorobenzoic acid(446-32-2) MS
Product Name2-Amino-4-fluorobenzoic acid
CAS446-32-2
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey LGPVTNAJFDUWLF-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(F)C=C1N
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MassMS-KW-0567 4-fluoroanthranilic acid C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.0 28.0 3.0 31.0 2.0 37.0 1.6 38.0 2.5 39.0 2.9 41.0 1.1 44.0 2.2 44.5 1.1 45.0 1.9 50.0 1.5 51.0 2.0 52.0 3.5 53.0 1.1 54.5 4.6 55.0 3.0 56.0 1.6 57.0 8.7 61.0 2.1 62.0 3.5 63.0 6.9 64.0 2.3 65.0 1.7 68.0 1.3 68.5 2.8 69.0 2.9 70.0 1.2 77.5 1.4 81.0 5.4 82.0 18.6 83.0 17.8 84.0 3.7 89.0 2.6 90.0 3.7 94.0 2.0 108.0 3.9 109.0 11.4 110.0 70.7 111.0 8.1 137.0 100.0 138.0 13.3 139.0 1.0 155.0 61.1 156.0 5.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7H6FNO2 0.040 g : 0.5 ml DMSO-d6 4-fluoroanthranilic acid 
Assign. Shift(ppm)
A 7.780 B 6.532 C 6.330
Hz ppm Int.3118.29 7.800 854 3111.21 7.783 989 3109.38 7.778 1000 3102.30 7.760 858 2618.41 6.550 892 2615.85 6.544 928 2606.57 6.520 908 2604.01 6.514 896 2540.29 6.355 514 2537.72 6.348 498 2531.62 6.333 845 2529.06 6.327 784 2523.08 6.312 518 2520.51 6.305 465
KBr disk
Nujol
